Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate

2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate)

CAS: 5993-41-9

Molecular Formula	`C35H37N9O14S`
Molecular Weight	839.8 g/mol
Topological Polar Surface Area	370.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	839.2181
Heavy Atoms	59
Complexity	729.0

Chemical Identifiers

CAS Number	5993-41-9
SMILES	`CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`DHWWYBFRPPLTLT-UHFFFAOYSA-N`

📖 Product Overview

Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate (CAS: 5993-41-9) is a chemical compound with molecular formula C35H37N9O14S and molecular weight 839.8 g/mol. Its IUPAC systematic name is 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate). Topological Polar Surface Area 370.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 15 Rotatable Bonds 8 Exact Mass 839.2181 Heavy Atoms 59 Complexity 729.0 InChI Key: DHWWYBFRPPLTLT-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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